SCHEMBL22492451

SCHEMBL22492451

[2H]C([2H])([2H])NCC(=O)OCCCCCCCCC=C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
LPAR3 Q9UBY5 2/20 0.41
LPAR2 Q9HBW0 1/20 0.41
CYP3A4 P08684 3/20 0.40
MAPT P10636 3/20 0.40
USP2 O75604 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
FAAH O00519 2/20 0.39
TSHR P16473 2/20 0.39
ABCC4 O15439 1/20 0.38
NAAA Q02083 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
PLA2G2C Q5R387 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22492395 0.98 ALDH1A1 (0.46) ALDH1A1LMNALPAR3LPAR2CYP3A4
SCHEMBL22492477 0.95 ALDH1A1 (0.46) ALDH1A1LMNALPAR3LPAR2CYP3A4
SCHEMBL22492399 0.88 LMNA (0.41) ALDH1A1LMNALPAR3LPAR2CYP3A4
SCHEMBL26247997 0.88 ALDH1A1 (0.53) ALDH1A1LMNALPAR3LPAR2CYP3A4
SCHEMBL26247715 0.83 ALDH1A1 (0.50) ALDH1A1LMNALPAR3LPAR2CYP3A4
SCHEMBL32674552 0.81 ALDH1A1 (0.55) ALDH1A1LMNALPAR3LPAR2CYP3A4
SCHEMBL7702797 0.81 ALDH1A1 (0.55) ALDH1A1LMNALPAR3LPAR2CYP3A4
SCHEMBL28317561 0.78 ALDH1A1 (0.53) ALDH1A1LMNALPAR3LPAR2CYP3A4
SCHEMBL873655 0.78 NAAA (0.62) ALDH1A1LMNALPAR3LPAR2CYP3A4
SCHEMBL816610 0.78 NAAA (0.62) ALDH1A1LMNALPAR3LPAR2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092731-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF ULTRAGENYX PHARMACEUTICAL INC. 2024-03-21 US disclosed
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof ULTRAGENYX PHARMACEUTICAL INC. (US) 2023-09-12 US disclosed
US-20220227703-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF ULTRAGENYX PHARMACEUTICAL INC. 2022-07-21 US disclosed
US-11332438-B2 Creatine prodrugs, compositions and methods of use thereof ULTRAGENYX PHARMACEUTICAL INC. (US) 2022-05-17 US disclosed
US-20210002211-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF ULTRAGENYX PHARMACEUTICAL INC. 2021-01-07 US disclosed
EP-3717453-A2 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF Ultragenyx Pharmaceutical Inc. (US) 2020-10-07 EP disclosed
CN-111417620-A Creatine prodrugs, compositions thereof, and methods of use 奥特吉尼克斯制药公司 2020-07-14 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11332438-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885LMNA 1837/4885LPAR3 2913/4885
US-20210002211-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885LMNA 1837/4885LPAR3 2913/4885
US-20240092731-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885LMNA 1837/4885LPAR3 2913/4885
US-11753369-B2 Creatine prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885LMNA 1837/4885LPAR3 2913/4885
US-20220227703-A1 CREATINE PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, PYGM, TKT ALDH1A1 1814/4885LMNA 1837/4885LPAR3 2913/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.